N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H30ClN3O2 — CID 119729798

IUPACN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13(17-4-3-9-21-12-17)10-20(25)22-14(2)15-5-7-18-16(11-15)6-8-19(24)23-18;/h5,7,11,13-14,17,21H,3-4,6,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyLXHGPGNYWZMAMP-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119729798) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119729798
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13(17-4-3-9-21-12-17)10-20(25)22-14(2)15-5-7-18-16(11-15)6-8-19(24)23-18;/h5,7,11,13-14,17,21H,3-4,6,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyLXHGPGNYWZMAMP-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

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Related Compounds

(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119729826
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
2-oxo-N-(1-piperidin-3-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119474020
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119729798) is N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is LXHGPGNYWZMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-13(17-4-3-9-21-12-17)10-20(25)22-14(2)15-5-7-18-16(11-15)6-8-19(24)23-18;/h5,7,11,13-14,17,21H,3-4,6,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119729798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).